Chemical Components in the PDB

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RCL : Summary

Code

RCL

One-letter code

X

Molecule name

RICINOLEIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (9E,12R)-12-hydroxyoctadec-9-enoic acid
OpenEye OEToolkits 1.5.0 (E,12R)-12-hydroxyoctadec-9-enoic acid

Formula

C18 H34 O3

Formal charge

0

Molecular weight

298.461 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCC/C=C/CC(O)CCCCCC
SMILES CACTVS 3.341 CCCCCC[CH](O)CC=CCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCC(CC=CCCCCCCCC(=O)O)O
Canonical SMILES CACTVS 3.341 CCCCCC[C@@H](O)C/C=C/CCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)O

IUPAC InChI

InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+/t17-/m1/s1

IUPAC InChI key

WBHHMMIMDMUBKC-XLNAKTSKSA-N
RCL

wwPDB Information

Atom count

55 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned